Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C19H18O5/c1-21-14-6-4-12(5-7-14)8-13-9-16-17(23-3)10-15(22-2)11-18(16)24-19(13)20/h4-7,9-11H,8H2,1-3H3
SMILES COc1ccc(cc1)Cc1cc2c(OC)cc(cc2oc1=O)OC
InChI Key NUYGANKLLGXREF-UHFFFAOYSA-N
Molecular Formula C19H18O5
Exact Mass 326.343 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NUYGANKLLGXREF-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NUYGANKLLGXREF-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]chromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453670 PubChem
    The data in this table is sourced from UniChem at EBI.